3,5-ditert-butyl-2-oxidanyl-benzoate; zirconium(2+)

Systemtic Name: 3,5-ditert-butyl-2-oxidanyl-benzoate; zirconium(2+) Openeye Name: 3,5-ditert-butyl-2-hydroxy-benzoate; zirconium(2+) CAS Name: 3,5-ditert-butyl-2-hydroxybenzoate; zirconium(2+) IUPAC Name: 3,5-ditert-butyl-2-hydroxybenzoate; zirconium(2+) Traditional Name: 3,5-ditert-butyl-2-hydroxy-benzoate; zirconium(2+) Formula: C30H42O6Zr MolecularWeight: 589.87488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.[Zr+2]

InChI

InChI=1S/2C15H22O3.Zr/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+2/p-2